methyl 5-methyl-2-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-nitro-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[[4-nitro-2-(trifluoromethyl)phenyl]thiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H16F3N3O4S2 MolecularWeight: 495.49465

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H16F3N3O4S2/c1-11-16(12-6-4-3-5-7-12)17(19(28)31-2)18(33-11)26-20(32)25-15-9-8-13(27(29)30)10-14(15)21(22,23)24/h3-10H,1-2H3,(H2,25,26,32)